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unexpected coalescence of structure templates #22

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@nbehrnd

The sketcher on https://crystallography.io/ offers templates to accelerate drawing the structure to query. In contrast to other sketchers, however, the current implementation tends to coalesce these unexpectedly early.

For example, aiming to extend a methyl-substituted cyclohexane by a second cyclohexane at the tip of the methyl group yields decalin instead. So far, the only approach I identified to prevent this to happen was 1) to sketch to separate cyclohexane rings, and then 2) to drag an extended single bond between the two:

sketchers_magnetism_1

Apparently, cyclohexane is not the only template with this property. With benzene, for example, the sketcher suggests a napthalene-like entity. The search in the database possibly does not account for the bond order between the atoms, yet may yield a pentavalent carbon atom. Again, this may be prevented by drawing the cycles separately, and to join them by a dragging a single bond:

sketchers_magnetism_2

Joining rings not over tips, but along an edge in common, however works along the expected way for e.g., both cyclohexane (to yield decalin), or benzene (to yield a naphthalene with the usual bond orders).

sketchers_magnetism.zip

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